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CAS 4418-84-2 (4-Bromo-phenyl)-phenyl-diazene molecular structure lightbox
CAS RN: 4418-84-2

(4-Bromo-phenyl)-phenyl-diazene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260201 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Hebei Inquiry
  • Product code: starshine_CAS4418-84-2
  • Purity/Analytical Methods: >99.0%
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4418-84-2 / (4-bromophenyl)-phenyldiazene

Standard CAS: 4418-84-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4418-84-2
Multi CAS
Yes
Molecular Formula
BC12H9Rn2
Molecular Weight
261.120000
Exact Mass
259.994910
InChI
InChI=1S/C12H9BrN2/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H
InChIKey
SVJSEJOASMWXGQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
64.76
TPSA
24.72

LogP / Solubility

WLOGP
4.86
MLOGP
4.29
XLogP3
4.8
Consensus LogP
4.65
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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